2-[[(E)-2-cyano-3-[4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-[4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(4-isobutoxyphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-[4-(2-methylpropoxy)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-[4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(4-isobutoxyphenyl)acryloyl]amino]benzoic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C21H20N2O4/c1-14(2)13-27-17-9-7-15(8-10-17)11-16(12-22)20(24)23-19-6-4-3-5-18(19)21(25)26/h3-11,14H,13H2,1-2H3,(H,23,24)(H,25,26)/b16-11+